光谱学与光谱分析 |
|
|
|
|
|
Data Analysis of Laser Desorption/Ionization Mass Spectrum of Atmospheric Aerosol Particles Using Fuzzy Clustering Algorithms |
GUO Xiao-yong,FANG Li,ZHAO Wen-wu,GU Xue-jun,ZHENG Hai-yang,ZHANG Wei-jun |
Lab of Environmental Spectroscopy, Anhui Institute of Optics and Fine Mechanics,Chinese Academy of Sciences, Hefei 230031, China |
|
|
Abstract On-line measurement of size and composition of single particle using an aerosol time-of-flight Laser mass spectrometry (ATOFLMS) had been designed in our lab.Each particle’s aerodynamic diameter is determined by measuring the delay time between two continuous-wave lasers, A Nd∶YAG laser desorbs and ionizes molecules from the particle, and the time-of-flight mass spectrometer collects a mass spectrum of the generated ions.Then the composition of single particle is obtained.ATOFLMS generates large amount of data during the process period.How to process these data and extract valuable information is one of the key problems for the ATOFLMS.In this paper, the fuzzy clustering used to classify large numbers of mass spectral of air indoor by an ATOFLMS.Each revised spectrum is converted to a normalized 300-point vector, each point representing one mass unit.Then the positive ion mass spectra of a single particle are described as 300-dimensional data vectors using the ion masses as dimensions and the ion signal peak areas as values.The data vectors of all particles measured are written into a classification matrix.Each spectrum’s data was stored as one row in this matrix.The Fuzzy c-means algorithm is an iterative method starting the calculation with random class centers to find a substructure in the data.The procedure works in such a way that finally similar objects (particle spectra) have a minimum distance between their corresponding data vectors, on the one hand, and to the center of a cluster, on the other hand.So the aim of the iteration is to find local minima in the N-dimensional space where N is the number of evaluated peak masses.The particle data used in this study were collected over a period one day in Hefei.During the campaign, inorganic salts, mineral particles, and carbonaceous particles, with varying degrees of secondary components, were identified.The detection results of particle size exhibit that aerosol is predominanantly in the form of fine particles, and the particles whose diameter larger than 1 μm are scare.The particles whose diameter less than 1 μm are make up of 95% of the total particles, and these particles are major distributed in 0.4-0.8 μm.
|
Received: 2007-05-10
Accepted: 2007-08-20
|
|
Corresponding Authors:
GUO Xiao-yong
E-mail: xyguo@aiofm.ac.cn
|
|
[1] Molina M J, Angew.Chem.Int.Ed.Engl, 1996, 35:1778. [2] Moren F, Dolovich M B, Newhouse M T, et al.Aerosols in Medicine:Principles, Diagnosis and Therapy, 2nd edition, Amsterdam:Elsevier, 1993, 321. [3] Dockery D W, Pope III C A.Annu.Rev.Public Health, 1994, 15:107. [4] LIAN Yue, LIU Wen-qing, LU Jian-chun, et al(连 悦, 刘文清, 鹿建春, 等).Spectroscopy and Spectral Analysis(光谱学与光谱分析),2006, 26(1):198. [5] Johnston M V, Wexler A S.Anal.Chem.1995, 67:721A. [6] Peter T.Science, 1996, 273:1352. [7] Bezdek J C.Pattern Recognition with Fuzzy Objective Function Algorithms, New York:Plenum Press, 1981. [8] XIA Zhu-hong, FANG Li, ZHENG Hai-yang, et al(夏柱红, 方 黎, 郑海洋,等).Chinese Journal of Analytical Chemistry(分析化学), 2004, 32(7):973. [9] GUO Xiao-yong, ZHOU Liu-zhu, ZHAO Wen-wu, et al(郭晓勇, 周留柱,赵文武,等).Chinese Journal of Quantum Electronics(量子电子学报), 2006, 23(2):217. [10] Hinz K P, Greweling M, Drews F, et al.J.Am.Soc.Mass.Spectrom., 1999, 10:648. [11] Davies D L, Bouldin D W.IEEE Trans.Patt.Anal.Machine Intell., 1979, PAMI-1:224. [12] Held A, Hinzb K P, Trimbornb A, et al.Journal of Aerosol Science, 2002, 33:581. [13] Gundel L A, Benner W H, Hansen A D.Atmospheric Environment, 1994, 28:2715. |
[1] |
LIU Shu-hong1, 2, WANG Lu-si3*, WANG Li-sheng3, KANG Zhi-juan1, 2,WANG Lei1, 2,XU Lin1, 2,LIU Ai-qin1, 2. A Spectroscopic Study of Secondary Minerals on the Epidermis of Hetian Jade Pebbles From Xinjiang, China[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 169-175. |
[2] |
LI Xiao1, CHEN Yong2, MEI Wu-jun3*, WU Xiao-hong2*, FENG Ya-jie1, WU Bin4. Classification of Tea Varieties Using Fuzzy Covariance Learning
Vector Quantization[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(02): 638-643. |
[3] |
ZHANG Zhi-wei1, 2, QIU Rong1, 2*, YAO Yin-xu1, 2, WAN Qing3, PAN Gao-wei1, SHI Jin-fang1. Measurement and Analysis of Uranium Using Laser-Induced
Breakdown Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(01): 57-61. |
[4] |
ZHAO Guo-qiang1, QIU Meng-lin1*, ZHANG Jin-fu1, WANG Ting-shun1, WANG Guang-fu1, 2*. Peak Splitting Method of Ion-Beam-Induced-Luminescence Spectrum Based on Voigt Function Fitting[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(11): 3512-3518. |
[5] |
CAO Su-qiao1, DAI Hui1*, WANG Chao-wen2, YU Lu1, ZUO Rui1, WANG Feng1, GUO Lian-qiao1. Gemological and Spectral Characteristics of Emeralds From Swat Valley, Pakistan[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(11): 3533-3540. |
[6] |
DENG Xian-ze1, 2, DENG Xi-guang1, 2*, YANG Tian-bang1, 2, CAI Zhao3, REN Jiang-bo1, 2, ZHANG Li-min1, 2. To Reveal the Occurrence States and Enrichment Mechanisms of Metals in Modules From Clarion-Clipperton Zone in Eastern Pacific by High
Resolution Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(08): 2522-2527. |
[7] |
TAN Yang1, WU Xiao-hong2, 3*, WU Bin4, SHEN Yan-jun1, LIU Jin-mao1. Qualitative Analysis of Pesticide Residues on Chinese Cabbage Based on GK Improved Possibilistic C-Means Clustering[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(05): 1465-1470. |
[8] |
WANG Xin-qiang1, 3, HU Feng1, 3, XIONG Wei2, YE Song1, 3, LI Shu1, 3, GAN Yong-ying1, 3, YIN Shan1, 3, WANG Fang-yuan1, 3*. Research on Raman Signal Processing Method Based on Spatial Heterodyne[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(01): 93-98. |
[9] |
JIAO Qing-liang1, LIU Ming1*, YU Kun2, LIU Zi-long2, 3, KONG Ling-qin1, HUI Mei1, DONG Li-quan1, ZHAO Yue-jin1. Spectral Pre-Processing Based on Convolutional Neural Network[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(01): 292-297. |
[10] |
HE Xiong-fei1, 2, HUANG Wei3, TANG Gang3, ZHANG Hao3*. Mechanism Investigation of Cement-Based Permeable Crystalline Waterproof Material Based on Spectral Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(12): 3909-3914. |
[11] |
ZHU Zhi-gao1, LIU Ya1*, YANG Jie1, HU Guo-qing2, 3. A Review of Single-Cavity Dual-Comb Laser and Its Application in Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(11): 3321-3330. |
[12] |
ZHANG Zhi-qi1, ZHAO Tong1, LIU Ling1, LI Yan1,2*. Spectral Characteristics of Madagascar Agates[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(10): 3227-3232. |
[13] |
WU Lu-yi, GAO Guang-zhen, LIU Xin, GAO Zhen-wei, ZHOU Xin, YU Xiong, CAI Ting-dong*. Study on the Calibration of Reflectivity of the Cavity Mirrors Used in Cavity Enhanced Absorption Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(09): 2945-2949. |
[14] |
LI Qing-yuan, LI Jing, WEI Xin, SUN Mei-xiu*. Performance Evaluation of a Portable Breath Isoprene Analyzer Based on Cavity Ringdown Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(08): 2415-2419. |
[15] |
YU Lei, WANG Ya-mei*. The Spectral Characteristics of “Edison” Pearls and Nucleated Pearls With Dyeing Treatment[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(08): 2626-2632. |
|
|
|
|